Smenospongine
TL;DR: Smenospongine (CAS 113021-53-7) is a chemical compound with molecular formula C21H29NO3 and molecular weight 343.21475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-5-amino-4-hydroxycyclohexa-3,5-diene-1,2-dione
Also Known As: Smenospongine, J1.373.726F, 3-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-5-amino-4-hydroxycyclohexa-3,5-diene-1,2-dione, 2,5-Cyclohexadiene-1,4-dione, 5-amino-3-(((1R,2S,4aS,8aS)-decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl)methyl)-2-hydroxy, 2-[[(8aalpha)-1,2beta,4abeta-Trimethyl-5-methylenedecalin-1alpha-yl]methyl]-3-hydroxy-6-aminocyclohexa-2,5-diene-1,4-dione
Technical Specifications
| Molecular Formula | C21H29NO3 |
| Molecular Weight | 343.21475 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 80.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.21475 Da |
| Heavy Atoms | 25 |
| Complexity | 717.0 |
| SMILES | C[C@H]1CC[C@]2([C@H]([C@]1(C)CC3=C(C(=CC(=O)C3=O)N)O)CCCC2=C)C |
| InChIKey | OBQPWRJUZHGREQ-NUATZEMDSA-N |
Chemical Property Profile of Smenospongine
Property Insights of Smenospongine
The XLogP value of 3.8 indicates that Smenospongine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Smenospongine. Following Lipinski's Rule of Five, Smenospongine has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Smenospongine?
The CAS number of Smenospongine is 113021-53-7.
What is the molecular formula of Smenospongine?
The molecular formula of Smenospongine is C21H29NO3.
What is the molecular weight of Smenospongine?
The molecular weight of Smenospongine is 343.21475 g/mol.
Where can I buy Smenospongine?
You can request a quote for Smenospongine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Smenospongine?
Yes, CoreyChem provides custom synthesis services for Smenospongine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.